CID 137964555

Rac-1-[(3r,4r)-4-(aminomethyl)oxolan-3-yl]-1h-1,2,3-triazole-4-carboxamide hydrochloride

Structural Information

Molecular Formula
C8H13N5O2
SMILES
C1[C@H]([C@@H](CO1)N2C=C(N=N2)C(=O)N)CN
InChI
InChI=1S/C8H13N5O2/c9-1-5-3-15-4-7(5)13-2-6(8(10)14)11-12-13/h2,5,7H,1,3-4,9H2,(H2,10,14)/t5-,7-/m1/s1
InChIKey
FKLLGPFUILTBNJ-IYSWYEEDSA-N
Compound name
1-[(3S,4S)-4-(aminomethyl)oxolan-3-yl]triazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.10692 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.11420 145.1
[M+Na]+ 234.09614 151.8
[M-H]- 210.09964 148.1
[M+NH4]+ 229.14074 160.6
[M+K]+ 250.07008 151.2
[M+H-H2O]+ 194.10418 136.4
[M+HCOO]- 256.10512 165.6
[M+CH3COO]- 270.12077 188.5
[M+Na-2H]- 232.08159 146.2
[M]+ 211.10637 141.8
[M]- 211.10747 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.